2-(4-ethanoylsulfanyl-1H-indol-3-yl)ethanoic acid

Systemtic Name: 2-(4-ethanoylsulfanyl-1H-indol-3-yl)ethanoic acid Openeye Name: 2-(4-acetylsulfanyl-1H-indol-3-yl)acetic acid CAS Name: 2-[4-(acetylthio)-1H-indol-3-yl]acetic acid IUPAC Name: 2-(4-acetylsulfanyl-1H-indol-3-yl)acetic acid Traditional Name: 2-[4-(acetylthio)-1H-indol-3-yl]acetic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=CC=CC2=C1C(=CN2)CC(=O)O

Isomeric SMILES

CC(=O)SC1=CC=CC2=C1C(=CN2)CC(=O)O

InChI

InChI=1S/C12H11NO3S/c1-7(14)17-10-4-2-3-9-12(10)8(6-13-9)5-11(15)16/h2-4,6,13H,5H2,1H3,(H,15,16)